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2,6-Dimethoxy- 1 -methylthio-4-piperonyl-8-veratryl-3,7-dioxabicyclo[3.3.0]octan
SpectraBase Compound ID BIwnfJ1o26Q
InChI InChI=1S/C26H32O8S/c1-27-17-8-6-16(10-19(17)28-2)13-22-26(35-5)23(24(29-3)34-22)21(33-25(26)30-4)12-15-7-9-18-20(11-15)32-14-31-18/h6-11,21-25H,12-14H2,1-5H3/t21-,22-,23+,24?,25?,26+/m1/s1
InChIKey BKHMAUFXDFXNMD-SHOQKZTJSA-N
Mol Weight 504.6 g/mol
Molecular Formula C26H32O8S
Exact Mass 504.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XDRf3wYB2i
Name 2,6-Dimethoxy- 1 -methylthio-4-piperonyl-8-veratryl-3,7-dioxabicyclo[3.3.0]octan
CAS Registry Number 97141-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O8S
InChI InChI=1S/C26H32O8S/c1-27-17-8-6-16(10-19(17)28-2)13-22-26(35-5)23(24(29-3)34-22)21(33-25(26)30-4)12-15-7-9-18-20(11-15)32-14-31-18/h6-11,21-25H,12-14H2,1-5H3/t21-,22-,23+,24?,25?,26+/m1/s1
InChIKey BKHMAUFXDFXNMD-SHOQKZTJSA-N
Molecular Weight 504.594 g/mol
SMILES [C@]12([C@](C(OC)O[C@@]2(Cc2cc(OC)c(cc2)OC)[H])([C@@](Cc2cc3OCOc3cc2)(OC1OC)[H])[H])SC
SPLASH splash10-03di-0900000000-60c5d327659820283f16
Source of Spectrum KC-1985-593-14c
Wiley ID 1394259